2-(cyclopentyloxy)aniline hydrochloride

• ChemBase ID: 259896
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: c1(OC2CCCC2)c(N)cccc1.Cl
• Canonical SMILES: Nc1ccccc1OC1CCCC1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9;/h3-4,7-9H,1-2,5-6,12H2;1H
• InChIKey: SKQKYGTWPGTRPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentyloxy)aniline hydrochloride
• IUPAC Traditional name: 2-(cyclopentyloxy)aniline hydrochloride
• Synonyms: 2-(cyclopentyloxy)aniline hydrochloride

Database IDs

• MDL Number: MFCD12197061
• PubChem SID: 164315806
• PubChem CID: 42937394

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3070998
• LogD (pH = 7.4): 2.3409019
• Log P: 2.3413506
• Molar Refractivity: 53.6348 cm^3
• Polarizability: 20.630466 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198 - 200°C
• Hydrophobicity(logP): 2.656

Product Information

• Purity: 95%